Elongation法
生体分子(タンパク質)
- リガーゼ (PDB: 3EQS)・線毛タンパク質（PDB:1PAK）
～3D-ELG法～ -
・K. Liu, Y. Yan, F. L. Gu, and Y. Aoki, A modified localization scheme for the three-dimensional elongation method applied to large systems, Chem. Phys. Lett., 565, 143-147 (2013).
・K. Liu, L. Peng, F. L. Gu, and Y. Aoki, Three dimensional elongation method for large molecular calculations, Chem. Phys. Lett., 560, 66-70 (2013).
Y. Aoki and F. L. Gu, Phys. Chem. Chem. Phys., 14, 7640-7668 (2012). - 両極性タンパク質 ALPS-23 peptide (PDB: 2M0W)
～3D-ELG法～ -
K. Liu, J. Korchowiec, and Y. Aoki, Intermediate electrostatic field for the generalized elongation method, ChemPhysChem, 16, 1551-1556 (2015). - ポリグリシン ～ELG-MD法～
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P. Xie, Y. Orimoto, and Y. Aoki, An Efficient Local Molecular Dynamics Polymerization Simulation Combined with an Ab Initio MO Method, Materials, 6, 870-885 (2013).L. Jin, K. Liu, and Y. Aoki, J. Mol. Model., 21, 117 (2015).